N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide

C14H9BrIN3O4 — CID 137064524

IUPACN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9BrIN3O4/c15-11-5-8(6-12(16)13(11)20)7-17-18-14(21)9-1-3-10(4-2-9)19(22)23/h1-7,20H,(H,18,21)/b17-7-
InChIKeyAJFMZHOPOUATQN-IDUWFGFVSA-N
MW490.05 g/mol
LogP3.43
Rot. Bonds4

About N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide

N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 137064524) has the molecular formula C14H9BrIN3O4 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID137064524
Molecular FormulaC14H9BrIN3O4
Molecular Weight490.05 g/mol
Exact Mass488.88
IUPAC NameN-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H9BrIN3O4/c15-11-5-8(6-12(16)13(11)20)7-17-18-14(21)9-1-3-10(4-2-9)19(22)23/h1-7,20H,(H,18,21)/b17-7-
InChIKeyAJFMZHOPOUATQN-IDUWFGFVSA-N
XLogP3.43
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
CID 137064628
N-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-nitrobenzamide
CID 3988801
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
2-bromo-6-iodo-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137064603
4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4291162
3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 5331629
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
N-[(Z)-3-[2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 137207079
N-[(E)-3-[2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 137207080

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide (CID 137064524) is N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C\c1cc(Br)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is AJFMZHOPOUATQN-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9BrIN3O4/c15-11-5-8(6-12(16)13(11)20)7-17-18-14(21)9-1-3-10(4-2-9)19(22)23/h1-7,20H,(H,18,21)/b17-7-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide?
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 490.05 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 137064524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).